[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(3-phenylcyclobutyl)methanone

C23H27NO2 — CID 95587854

IUPAC[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(3-phenylcyclobutyl)methanone
SMILESO=C(C1CC(c2ccccc2)C1)N1CCC([C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C23H27NO2/c25-22(18-9-5-2-6-10-18)19-11-13-24(14-12-19)23(26)21-15-20(16-21)17-7-3-1-4-8-17/h1-10,19-22,25H,11-16H2/t20?,21?,22-/m0/s1
InChIKeyUSXCRHJTGVQJKL-HRTMPFAESA-N
MW349.47 g/mol
LogP4.15
Rot. Bonds4

About [4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(3-phenylcyclobutyl)methanone

[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(3-phenylcyclobutyl)methanone (PubChem CID 95587854) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is [4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(3-phenylcyclobutyl)methanone.

Molecular Properties

Compound Name[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(3-phenylcyclobutyl)methanone
PubChem CID95587854
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(3-phenylcyclobutyl)methanone
SMILESO=C(C1CC(c2ccccc2)C1)N1CCC([C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C23H27NO2/c25-22(18-9-5-2-6-10-18)19-11-13-24(14-12-19)23(26)21-15-20(16-21)17-7-3-1-4-8-17/h1-10,19-22,25H,11-16H2/t20?,21?,22-/m0/s1
InChIKeyUSXCRHJTGVQJKL-HRTMPFAESA-N
XLogP4.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 110888059
2-[1-(3-phenylcyclobutanecarbonyl)piperidin-4-yl]acetamide
CID 56820326
[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-[(1R,2R)-2-nitrocyclopropyl]methanone
CID 100856645
2-(2,6-dichlorophenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 55589570
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-cyclopropylmethanone
CID 111112276
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 86937419
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone
CID 110909519
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110909513
4-[(S)-hydroxy(phenyl)methyl]-N-phenylpiperidine-1-carboxamide
CID 51547304
3-hydroxy-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 142479909
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-one
CID 110909523
2-cyclopentyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 110883117

Frequently Asked Questions

What is the IUPAC name of [4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(3-phenylcyclobutyl)methanone?
The IUPAC name of [4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(3-phenylcyclobutyl)methanone (CID 95587854) is [4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(3-phenylcyclobutyl)methanone.
What is the SMILES notation for [4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(3-phenylcyclobutyl)methanone?
The canonical SMILES for [4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(3-phenylcyclobutyl)methanone is O=C(C1CC(c2ccccc2)C1)N1CCC([C@@H](O)c2ccccc2)CC1.
What is the InChIKey of [4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(3-phenylcyclobutyl)methanone?
The InChIKey is USXCRHJTGVQJKL-HRTMPFAESA-N. The full InChI is InChI=1S/C23H27NO2/c25-22(18-9-5-2-6-10-18)19-11-13-24(14-12-19)23(26)21-15-20(16-21)17-7-3-1-4-8-17/h1-10,19-22,25H,11-16H2/t20?,21?,22-/m0/s1.
What are the key properties of [4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(3-phenylcyclobutyl)methanone?
[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(3-phenylcyclobutyl)methanone has a molecular weight of 349.47 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(3-phenylcyclobutyl)methanone is sourced from PubChem (CID 95587854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).